EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:160165 - Asn-Trp-Cys

ChEBI IDCHEBI:160165
ChEBI NameAsn-Trp-Cys
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H23N5O5S
Net Charge0
Average Mass421.479
Monoisotopic Mass421.14199
SMILESNC(=O)C[C@H](N)C(=O)N[C@@H](Cc1cnc2ccccc12)C(=O)N[C@@H](CS)C(=O)O
InChIInChI=1S/C18H23N5O5S/c19-11(6-15(20)24)16(25)22-13(17(26)23-14(8-29)18(27)28)5-9-7-21-12-4-2-1-3-10(9)12/h1-4,7,11,13-14,21,29H,5-6,8,19H2,(H2,20,24)(H,22,25)(H,23,26)(H,27,28)/t11-,13-,14-/m0/s1
InChIKeyPWUHPMMGQFPCFG-UBHSHLNASA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Asn-Trp-Cys (CHEBI:160165) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2R)-2-[[(2S)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-sulanylpropanoic acid